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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 1376-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Maximum force (fmax)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Formula
✕
Mass
✕
1376
Au
8
Si
4
1688.073
1377
Au
8
Si
4
1688.073
1378
Au
8
Si
4
1688.073
1379
Au
8
Si
4
1688.073
1380
Au
8
Si
4
1688.073
1381
Au
8
Si
4
1688.073
1382
Au
8
Si
4
1688.073
1383
Au
8
Si
4
1688.073
1384
Au
8
Si
4
1688.073
1385
Au
8
Si
4
1688.073
1386
Au
8
Si
4
1688.073
1387
Au
8
Si
4
1688.073
1388
Au
8
Si
4
1688.073
1389
Au
8
Si
4
1688.073
1390
Au
8
Si
4
1688.073
1391
Au
8
Si
4
1688.073
1392
Au
8
Si
4
1688.073
1393
Au
8
Si
4
1688.073
1394
Au
8
Si
4
1688.073
1395
Au
8
Si
4
1688.073
1396
Au
8
Si
4
1688.073
1397
Au
8
Si
4
1688.073
1398
Au
8
Si
4
1688.073
1399
Au
8
Si
4
1688.073
1400
Au
8
Si
4
1688.073
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